CID 5270979

5,7-diallyloxy-8-(1-aminopropyl)-4-propyl-chromen-2-one

Structural Information

Molecular Formula
C21H27NO4
SMILES
CCCC1=CC(=O)OC2=C1C(=CC(=C2C(CC)N)OCC=C)OCC=C
InChI
InChI=1S/C21H27NO4/c1-5-9-14-12-18(23)26-21-19(14)16(24-10-6-2)13-17(25-11-7-3)20(21)15(22)8-4/h6-7,12-13,15H,2-3,5,8-11,22H2,1,4H3
InChIKey
KUNAZIFYOLUHMD-UHFFFAOYSA-N
Compound name
8-(1-aminopropyl)-5,7-bis(prop-2-enoxy)-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.194 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 188.2
[M+Na]+ 380.18322 195.8
[M-H]- 356.18672 192.8
[M+NH4]+ 375.22782 200.9
[M+K]+ 396.15716 192.2
[M+H-H2O]+ 340.19126 180.3
[M+HCOO]- 402.19220 208.2
[M+CH3COO]- 416.20785 222.3
[M+Na-2H]- 378.16867 188.7
[M]+ 357.19345 195.0
[M]- 357.19455 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.